Structure of PDB 6yzk Chain A Binding Site BS02 |
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Ligand ID | Q3N |
InChI | InChI=1S/C7H12B10NO2S/c18-21(19,20)5-3-1-2-4-7-6-8(7)10(6)11(6)9(6,7)13(7)12(7,8)14(8,10)16(10,11)15(9,11,13)17(12,13,14)16/h1-5H2,(H2,18,19,20) |
InChIKey | UPSPEVYNSROCDN-UHFFFAOYSA-N |
SMILES | Software | SMILES |
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OpenEye OEToolkits 2.0.7 | B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CCCCCS(=O)(=O)N | CACTVS 3.385 | N[S](=O)(=O)CCCCC[C]1234[B]567[B]89%10[B]%11%12%13[B]58%14[B]%11%15%16[B]%12%17%18[B]9%13%19[B]16%10[B]2%17%19[C]3%15%18[B]47%14%16 |
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Formula | C7 H12 B10 N O2 S |
Name | Carborane closo-pentyl-sulfonamide |
ChEMBL | |
DrugBank | |
ZINC |
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PDB chain | 6yzk Chain A Residue 302
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